1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol

C15H23NO2 — CID 111106106

IUPAC1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol
SMILESCCOc1ccc2c(c1)CN(CC(O)CC)CC2
InChIInChI=1S/C15H23NO2/c1-3-14(17)11-16-8-7-12-5-6-15(18-4-2)9-13(12)10-16/h5-6,9,14,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyVWBQZBJJLMNMOM-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.21
Rot. Bonds5

About 1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol

1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol (PubChem CID 111106106) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol
PubChem CID111106106
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol
SMILESCCOc1ccc2c(c1)CN(CC(O)CC)CC2
InChIInChI=1S/C15H23NO2/c1-3-14(17)11-16-8-7-12-5-6-15(18-4-2)9-13(12)10-16/h5-6,9,14,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyVWBQZBJJLMNMOM-UHFFFAOYSA-N
XLogP2.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-propan-2-yloxypropan-2-ol
CID 110909734
1-[3-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 111116480
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethoxyphenoxy)propan-2-ol
CID 2381176
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol
CID 60885340
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 762913
2-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279784
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029133
1-(2,5-diethoxyphenyl)-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]guanidine
CID 111056307
1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 155535049
2-[2-(difluoromethylsulfonyl)phenyl]-7-ethoxy-3,4-dihydro-1H-isoquinoline
CID 133304233
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 4084169
2-chloro-1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 166403837

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol?
The IUPAC name of 1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol (CID 111106106) is 1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol.
What is the SMILES notation for 1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol?
The canonical SMILES for 1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol is CCOc1ccc2c(c1)CN(CC(O)CC)CC2.
What is the InChIKey of 1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol?
The InChIKey is VWBQZBJJLMNMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-14(17)11-16-8-7-12-5-6-15(18-4-2)9-13(12)10-16/h5-6,9,14,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol?
1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol is sourced from PubChem (CID 111106106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).